SCHEMBL7846402

SCHEMBL7846402

Cc1nc2cnccc2n1C1CCN(C(=O)c2cn(OC(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7843983 0.89 MEN1 (0.41) MAPK1ALDH1A1
SCHEMBL7836316 0.88 MAPK1 (0.50) SMN1; SMN2MAPK1
SCHEMBL7846036 0.88
Hydrochloric Acid SCHEMBL7845399 0.87 MAPK1 (0.49) SMN1; SMN2MAPK1
SCHEMBL7835077 0.86 HTT (0.43) SMN1; SMN2MAPK1HTT
SCHEMBL7846061 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1PKMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7847844 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1PKMKDM4EALDH1A1
SCHEMBL7847024 0.77
SCHEMBL7847305 0.77 HTT (0.46) SMN1; SMN2MAPK1PKMHTT
SCHEMBL7847829 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP claimed